SCHEMBL10642010

SCHEMBL10642010

CCOc1nc(C)nc(N/C(N)=N/OCc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.37
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
C5AR1 P21730 1/20 0.36
HTT P42858 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10642019 1.00 ALDH1A1 (0.39) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL4101663 0.79 LMNA (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL10388188 0.79 LMNA (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL4101661 0.79 LMNA (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL10642028 0.75 KMT2A (0.47) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL10638209 0.75 GAA (0.46) MEN1KMT2APOLBMAPTGAA
SCHEMBL10917534 0.71 ALDH1A1 (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL16253511 0.67 L3MBTL1 (0.51) ALDH1A1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL17066147 0.67 L3MBTL1 (0.51) ALDH1A1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL10618087 0.66 MEN1 (0.47) SMN1; SMN2MEN1KMT2ALMNAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4725305-A PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1988-02-16 US disclosed
EP-0173956-A1 Sulfonyl-guanidinotriazine derivatives BAYER AG (DE) 1986-03-12 EP disclosed